Compound Detail
CHEMBL1651055
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Basic Information
| ChEMBL ID | CHEMBL1651055 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTXYFFAYNUTIGA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
261.3
MW (Da)
3.45
ALogP
3
HBA
0
HBD
39.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 9.08 | 9.08 | 0.8 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 0.83 | nM | 9.08 | Inhibition of human recombinant MAOA expressed in baculovirus infected BTI-TN-5B... | 22005185 |
| Plasmodium falciparum | IC50 | = | 6400.0 | nM | 5.19 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum FCR-... | 23164712 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20961068 | 10.1021/np100370g | NON-PROTEIN TARGET | 3 |
| 20961068 | 10.1021/np100370g | AGS | 1 |
| 20961068 | 10.1021/np100370g | SK-MES-1 | 1 |
| 20961068 | 10.1021/np100370g | J82 | 1 |
| 22005185 | 10.1016/j.ejmech.2011.09.045 | Amine oxidase [flavin-containing] A | 1 |
| 22005185 | 10.1016/j.ejmech.2011.09.045 | Amine oxidase [flavin-containing] B | 1 |
| 22005185 | 10.1016/j.ejmech.2011.09.045 | Unchecked | 1 |
| 23164712 | 10.1016/j.bmcl.2012.10.092 | Unchecked | 1 |
| 23164712 | 10.1016/j.bmcl.2012.10.092 | MRC5 | 1 |
| 23164712 | 10.1016/j.bmcl.2012.10.092 | Plasmodium falciparum | 1 |
| 23454511 | 10.1016/j.ejmech.2013.01.049 | J82 | 1 |
| 23454511 | 10.1016/j.ejmech.2013.01.049 | SK-MES-1 | 1 |
| 23454511 | 10.1016/j.ejmech.2013.01.049 | AGS | 1 |
| 23454511 | 10.1016/j.ejmech.2013.01.049 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine